CID 400208

4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoic acid

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1=CC=C2C(=C1)N=C(C3=CC=CN23)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C18H13N3O2/c22-18(23)12-7-9-13(10-8-12)19-17-16-6-3-11-21(16)15-5-2-1-4-14(15)20-17/h1-11H,(H,19,20)(H,22,23)
InChIKey
JQEUOLKYHVQMPX-UHFFFAOYSA-N
Compound name
4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.10077 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 167.0
[M+Na]+ 326.08999 176.6
[M-H]- 302.09349 172.6
[M+NH4]+ 321.13459 181.9
[M+K]+ 342.06393 170.3
[M+H-H2O]+ 286.09803 158.0
[M+HCOO]- 348.09897 188.1
[M+CH3COO]- 362.11462 178.5
[M+Na-2H]- 324.07544 174.2
[M]+ 303.10022 168.5
[M]- 303.10132 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.